3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide

C15H11Cl2NO3 — CID 78137725

IUPAC3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)NO
InChIInChI=1S/C15H11Cl2NO3/c16-12-7-6-11(9-13(12)17)21-14-4-2-1-3-10(14)5-8-15(19)18-20/h1-9,20H,(H,18,19)
InChIKeyXYPHIQGDDSETJZ-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.30
Rot. Bonds4

About 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide

3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 78137725) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
PubChem CID78137725
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)NO
InChIInChI=1S/C15H11Cl2NO3/c16-12-7-6-11(9-13(12)17)21-14-4-2-1-3-10(14)5-8-15(19)18-20/h1-9,20H,(H,18,19)
InChIKeyXYPHIQGDDSETJZ-UHFFFAOYSA-N
XLogP4.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-(2-pyridin-4-yloxyphenyl)prop-2-enamide
CID 78137722
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
(E)-3-[2-(3,4-dichlorophenoxy)-5-(2-pyridin-3-ylethyl)phenyl]-N-hydroxyprop-2-enamide
CID 159803289
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
CID 122514325
(E)-3-(2-naphthalen-2-yloxyphenyl)-N-thiophen-2-ylsulfonylprop-2-enamide
CID 10113842
(E)-3-[2-(3-chlorophenoxy)-5-[methyl(pyridin-2-yl)amino]phenyl]-N-hydroxyprop-2-enamide
CID 71621225
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide
CID 122550447
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide (CID 78137725) is 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccccc1Oc1ccc(Cl)c(Cl)c1)NO.
What is the InChIKey of 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is XYPHIQGDDSETJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-12-7-6-11(9-13(12)17)21-14-4-2-1-3-10(14)5-8-15(19)18-20/h1-9,20H,(H,18,19).
What are the key properties of 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide?
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 324.16 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 78137725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).